SCHEMBL6671341

SCHEMBL6671341

CC(C)[C@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.43
IL6ST P40189 1/20 0.41
FAAH O00519 1/20 0.41
NAAA Q02083 1/20 0.38
IDH1 O75874 7/20 0.38
CAPN1 P07384 2/20 0.37
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
ALDH1A1 P00352 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3782695 1.00 PPARA (0.43) PPARAIL6STFAAHNAAAIDH1
SCHEMBL3782697 1.00 PPARA (0.43) PPARAIL6STFAAHNAAAIDH1
SCHEMBL13316581 0.90 PPARA (0.42) PPARAIL6STFAAHNAAAIDH1
SCHEMBL12062824 0.88 PPARA (0.48) PPARAIL6STFAAHNAAAIDH1
SCHEMBL13316601 0.86 PPARA (0.41) PPARAIL6STFAAHNAAAIDH1
SCHEMBL4610764 0.85 PPARA (0.46) PPARAIL6STFAAHNAAAIDH1
SCHEMBL22686526 0.85 PPARA (0.48) PPARAIL6STFAAHNAAAIDH1
SCHEMBL4610762 0.85 PPARA (0.46) PPARAIL6STFAAHNAAAIDH1
SCHEMBL22686527 0.85 PPARA (0.48) PPARAIL6STFAAHNAAAIDH1
SCHEMBL22686525 0.85 PPARA (0.48) PPARAIL6STFAAHNAAAIDH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370547-B1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PF MEDICAMENT (FR) 2004-09-15 EP disclosed